1-(4-methoxypyridin-1-ium-1-yl)-2,2-dimethyl-propan-1-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-methoxypyridin-1-ium-1-yl)-2,2-dimethyl-propan-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-methoxypyridin-1-ium-1-yl)-2,2-dimethyl-propan-1-one; trifluoromethanesulfonate CAS Name: 1-(4-methoxy-1-pyridin-1-iumyl)-2,2-dimethyl-1-propanone; trifluoromethanesulfonate IUPAC Name: 1-(4-methoxypyridin-1-ium-1-yl)-2,2-dimethylpropan-1-one; trifluoromethanesulfonate Traditional Name: 1-(4-methoxypyridin-1-ium-1-yl)-2,2-dimethyl-propan-1-one triflate Formula: C12H16F3NO5S MolecularWeight: 343.31935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[N+]1=CC=C(C=C1)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)[N+]1=CC=C(C=C1)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H16NO2.CHF3O3S/c1-11(2,3)10(13)12-7-5-9(14-4)6-8-12;2-1(3,4)8(5,6)7/h5-8H,1-4H3;(H,5,6,7)/q+1;/p-1